[1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone

C25H36N2O4S — CID 55527235

IUPAC[1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)CCCC2)c1
InChIInChI=1S/C25H36N2O4S/c1-19-8-9-20(2)22(18-19)32(30,31)25(12-4-5-13-25)24(29)27-16-10-21(11-17-27)23(28)26-14-6-3-7-15-26/h8-9,18,21H,3-7,10-17H2,1-2H3
InChIKeyVUCJDDFPWZNIMA-UHFFFAOYSA-N
MW460.64 g/mol
LogP3.64
Rot. Bonds4

About [1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone

[1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 55527235) has the molecular formula C25H36N2O4S and a molecular weight of 460.64 g/mol. Its IUPAC name is [1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID55527235
Molecular FormulaC25H36N2O4S
Molecular Weight460.64 g/mol
Exact Mass460.24
IUPAC Name[1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)CCCC2)c1
InChIInChI=1S/C25H36N2O4S/c1-19-8-9-20(2)22(18-19)32(30,31)25(12-4-5-13-25)24(29)27-16-10-21(11-17-27)23(28)26-14-6-3-7-15-26/h8-9,18,21H,3-7,10-17H2,1-2H3
InChIKeyVUCJDDFPWZNIMA-UHFFFAOYSA-N
XLogP3.64
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.64
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 55527235) is [1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone is Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)CCCC2)c1.
What is the InChIKey of [1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is VUCJDDFPWZNIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4S/c1-19-8-9-20(2)22(18-19)32(30,31)25(12-4-5-13-25)24(29)27-16-10-21(11-17-27)23(28)26-14-6-3-7-15-26/h8-9,18,21H,3-7,10-17H2,1-2H3.
What are the key properties of [1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 460.64 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 55527235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).